[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C23H37N3O6S MolecularWeight: 483.62138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H37N3O6S/c1-4-30-20-17-19(18-21(31-5-2)22(20)32-6-3)23(27)24-13-15-26(16-14-24)33(28,29)25-11-9-7-8-10-12-25/h17-18H,4-16H2,1-3H3