4-(azepan-1-ylmethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCCCC3)S(=O)(=O)N4CCCCC4

InChI

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