N-[2-(azepan-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-4-(methoxymethyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-4-(methoxymethyl)benzamide Openeye Name: N-[2-(azepan-1-yl)-5-(1-piperidylsulfonyl)phenyl]-4-(methoxymethyl)benzamide CAS Name: N-[2-(1-azepanyl)-5-(1-piperidinylsulfonyl)phenyl]-4-(methoxymethyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-(methoxymethyl)benzamide Traditional Name: N-[2-(azepan-1-yl)-5-piperidinosulfonyl-phenyl]-4-(methoxymethyl)benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCCC4

Isomeric SMILES

COCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCCC4

InChI

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