[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(o-tolyl)methanone Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H27N3O3S/c1-16-8-4-5-9-17(16)18(22)19-12-14-21(15-13-19)25(23,24)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-15H2,1H3