N-[1-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylpiperidin-4-yl]benzamide

Systemtic Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylpiperidin-4-yl]benzamide Openeye Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]-4-piperidyl]benzamide CAS Name: N-[1-[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]-4-piperidyl]benzamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H33N3O5S/c1-34-23-12-11-21(19-24(23)35(32,33)29-15-7-2-3-8-16-29)26(31)28-17-13-22(14-18-28)27-25(30)20-9-5-4-6-10-20/h4-6,9-12,19,22H,2-3,7-8,13-18H2,1H3,(H,27,30)