methanesulfonic acid; propan-2-yl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylate

Systemtic Name: methanesulfonic acid; propan-2-yl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]-1-pyridin-4-yl-piperidine-2-carboxylate Openeye Name: isopropyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-oxopiperazin-1-yl)methyl]-1-(4-pyridyl)piperidine-2-carboxylate; methanesulfonic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[(2-oxo-1-piperazinyl)methyl]-1-pyridin-4-yl-2-piperidinecarboxylic acid propan-2-yl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; propan-2-yl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-[(2-oxopiperazin-1-yl)methyl]-1-pyridin-4-ylpiperidine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-4-[(2-ketopiperazino)methyl]-1-(4-pyridyl)pipecolinic acid isopropyl ester; mesylic acid Formula: C30H37ClN4O8S2 MolecularWeight: 681.21978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.CS(=O)(=O)O

Isomeric SMILES

CC(C)OC(=O)C1CC(CCN1C2=CC=NC=C2)(CN3CCNCC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl.CS(=O)(=O)O

InChI

InChI=1S/C29H33ClN4O5S.CH4O3S/c1-20(2)39-28(36)26-17-29(19-33-14-12-32-18-27(33)35,9-13-34(26)24-7-10-31-11-8-24)40(37,38)25-6-4-21-15-23(30)5-3-22(21)16-25;1-5(2,3)4/h3-8,10-11,15-16,20,26,32H,9,12-14,17-19H2,1-2H3;1H3,(H,2,3,4)