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

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-21-11-12-23(19-24(21)32(30,31)28-15-6-3-7-16-28)25(29)27-14-8-13-26(17-18-27)20-22-9-4-2-5-10-22/h2,4-5,9-12,19H,3,6-8,13-18,20H2,1H3