N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c31-26(22-29-15-9-14-28(18-19-29)21-23-10-4-3-5-11-23)27-24-12-8-13-25(20-24)34(32,33)30-16-6-1-2-7-17-30/h3-5,8,10-13,20H,1-2,6-7,9,14-19,21-22H2,(H,27,31)