(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[2-chloro-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(2-chloro-5-piperidinosulfonyl-phenyl)methanone Formula: C24H30ClN3O3S MolecularWeight: 476.0313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O3S/c25-23-11-10-21(32(30,31)28-14-5-2-6-15-28)18-22(23)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