4-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide CAS Name: 4-(1-azepanyl)-3-(1-azepanylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide Traditional Name: 4-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)-N-(3-chlorobenzyl)benzamide Formula: C26H34ClN3O3S MolecularWeight: 504.08446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H34ClN3O3S/c27-23-11-9-10-21(18-23)20-28-26(31)22-12-13-24(29-14-5-1-2-6-15-29)25(19-22)34(32,33)30-16-7-3-4-8-17-30/h9-13,18-19H,1-8,14-17,20H2,(H,28,31)