[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(3-methylbenzyl)piperazino]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-21-7-6-8-22(19-21)20-26-15-17-27(18-16-26)25(29)23-9-11-24(12-10-23)32(30,31)28-13-4-2-3-5-14-28/h6-12,19H,2-5,13-18,20H2,1H3