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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C26H36N4O3S MolecularWeight: 484.65404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-22-11-12-24(19-25(22)34(32,33)30-15-6-3-7-16-30)27-26(31)21-29-14-8-13-28(17-18-29)20-23-9-4-2-5-10-23/h2,4-5,9-12,19H,3,6-8,13-18,20-21H2,1H3,(H,27,31)