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

Systemtic Name: methyl 3-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-(1-pyridin-4-ylpiperidin-4-yl)propanoate Openeye Name: methyl 3-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-3-[1-(4-pyridyl)-4-piperidyl]propanoate CAS Name: 3-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-3-(1-pyridin-4-yl-4-piperidinyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-3-(1-pyridin-4-ylpiperidin-4-yl)propanoate Traditional Name: 3-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-3-[1-(4-pyridyl)-4-piperidyl]propionic acid methyl ester Formula: C28H31ClN4O5S MolecularWeight: 571.08754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1CCN(CC1)C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)CC(C1CCN(CC1)C2=CC=NC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN4O5S/c1-38-28(35)18-26(20-8-12-31(13-9-20)24-6-10-30-11-7-24)33-15-14-32(19-27(33)34)39(36,37)25-5-3-21-16-23(29)4-2-22(21)17-25/h2-7,10-11,16-17,20,26H,8-9,12-15,18-19H2,1H3