[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-benzylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(4-benzylpiperazino)methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-21-11-12-23(32(30,31)28-13-7-2-3-8-14-28)19-24(21)25(29)27-17-15-26(16-18-27)20-22-9-5-4-6-10-22/h4-6,9-12,19H,2-3,7-8,13-18,20H2,1H3