ethyl 3-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-yl]-3-oxo-propanoate CAS Name: 3-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-yl]-3-oxopropanoate Traditional Name: 3-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-2-yl]-3-keto-propionic acid ethyl ester Formula: C30H35ClN4O5S MolecularWeight: 599.1407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1CN(CCN1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)CC(=O)C1CN(CCN1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C30H35ClN4O5S/c1-2-40-30(37)19-29(36)28-21-35(41(38,39)27-6-4-23-17-25(31)5-3-24(23)18-27)16-15-34(28)20-22-9-13-33(14-10-22)26-7-11-32-12-8-26/h3-8,11-12,17-18,22,28H,2,9-10,13-16,19-21H2,1H3