2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-phenyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-N-phenyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H31N3O3S/c1-19(2)26(21-8-5-4-6-9-21)23(27)18-24-14-7-15-25(17-16-24)30(28,29)22-12-10-20(3)11-13-22/h4-6,8-13,19H,7,14-18H2,1-3H3/p+1