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

Systemtic Name: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-chloro-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-3-piperidinosulfonyl-phenyl)methanone Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H30ClN3O3S/c25-22-11-10-21(18-23(22)32(30,31)28-14-5-2-6-15-28)24(29)27-13-7-12-26(16-17-27)19-20-8-3-1-4-9-20/h1,3-4,8-11,18H,2,5-7,12-17,19H2