5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(1-piperidyl)phenyl]methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[[4-(1-piperidinyl)phenyl]methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-piperidinobenzyl)benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-33-25-14-13-23(34(31,32)29-17-7-2-3-8-18-29)19-24(25)26(30)27-20-21-9-11-22(12-10-21)28-15-5-4-6-16-28/h9-14,19H,2-8,15-18,20H2,1H3,(H,27,30)