2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(2-methylpyridin-4-yl)-piperidin-4-yl-amino]-6-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(2-methylpyridin-4-yl)-piperidin-4-yl-amino]-6-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[(2-methyl-4-pyridyl)-(4-piperidyl)amino]-6-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[(2-methyl-4-pyridinyl)-(4-piperidinyl)amino]-6-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(2-methylpyridin-4-yl)-piperidin-4-ylamino]-6-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[(2-methyl-4-pyridyl)-(4-piperidyl)amino]piperazin-2-yl]acetic acid Formula: C27H30ClN5O5S MolecularWeight: 572.0756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N(C2CCNCC2)N3C(CN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)CC(=O)O

Isomeric SMILES

CC1=NC=CC(=C1)N(C2CCNCC2)N3C(CN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)CC(=O)O

InChI

InChI=1S/C27H30ClN5O5S/c1-18-12-23(8-11-30-18)32(22-6-9-29-10-7-22)33-24(15-27(35)36)16-31(17-26(33)34)39(37,38)25-5-3-19-13-21(28)4-2-20(19)14-25/h2-5,8,11-14,22,24,29H,6-7,9-10,15-17H2,1H3,(H,35,36)