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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3,4-diethoxyphenyl)methanone Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C21H33N3O5S/c1-3-28-19-10-9-18(17-20(19)29-4-2)21(25)22-13-15-24(16-14-22)30(26,27)23-11-7-5-6-8-12-23/h9-10,17H,3-8,11-16H2,1-2H3