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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzyl-1,4-diazepan-1-yl)acetamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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