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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C19H29N3O5S/c1-26-17-8-7-16(15-18(17)27-2)19(23)20-11-13-22(14-12-20)28(24,25)21-9-5-3-4-6-10-21/h7-8,15H,3-6,9-14H2,1-2H3