[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: (4-tosyl-1,4-diazepan-1-yl)-(3,4,5-triethoxyphenyl)methanone Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H34N2O6S/c1-5-31-22-17-20(18-23(32-6-2)24(22)33-7-3)25(28)26-13-8-14-27(16-15-26)34(29,30)21-11-9-19(4)10-12-21/h9-12,17-18H,5-8,13-16H2,1-4H3