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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-4-29-21-12-9-19(17-22(21)30-5-2)23(26)24-13-6-14-25(16-15-24)31(27,28)20-10-7-18(3)8-11-20/h7-12,17H,4-6,13-16H2,1-3H3