[4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)C)OCC

InChI

InChI=1S/C23H30N2O5S/c1-4-29-21-11-10-20(17-22(21)30-5-2)31(27,28)25-13-7-12-24(14-15-25)23(26)19-9-6-8-18(3)16-19/h6,8-11,16-17H,4-5,7,12-15H2,1-3H3