[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2,3-dimethylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2,3-dimethylphenyl)methanone Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-16-8-7-9-18(17(16)2)19(23)20-12-14-22(15-13-20)26(24,25)21-10-5-3-4-6-11-21/h7-9H,3-6,10-15H2,1-2H3