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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C

InChI

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