N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-indan-5-yl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-indan-5-yl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H29N3O3S/c1-18-6-10-22(11-7-18)30(28,29)26-13-3-12-25(14-15-26)17-23(27)24-21-9-8-19-4-2-5-20(19)16-21/h6-11,16H,2-5,12-15,17H2,1H3,(H,24,27)/p+1