[4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-piperidinosulfonylphenyl)methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c28-24(26-14-8-13-25(17-18-26)20-21-9-3-1-4-10-21)22-11-7-12-23(19-22)31(29,30)27-15-5-2-6-16-27/h1,3-4,7,9-12,19H,2,5-6,8,13-18,20H2