(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(1-carbamothioyl-2,3-dihydroinden-1-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium

Systemtic Name: (6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(1-carbamothioyl-2,3-dihydroinden-1-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium Openeye Name: (5-amino-1-carboxy-pentyl)-(1-carbamothioylindan-1-yl)-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(1-carbamothioyl-2,3-dihydroinden-1-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)ammonium IUPAC Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(1-carbamothioyl-2,3-dihydroinden-1-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium Traditional Name: (5-amino-1-carboxy-pentyl)-isobutyl-(1-thiocarbamoylindan-1-yl)-tosyl-ammonium Formula: C27H38N3O4S2+ MolecularWeight: 532.73832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)C(=O)O)C2(CCC3=CC=CC=C32)C(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)C(=O)O)C2(CCC3=CC=CC=C32)C(=S)N

InChI

InChI=1S/C27H37N3O4S2/c1-19(2)18-30(24(25(31)32)10-6-7-17-28,36(33,34)22-13-11-20(3)12-14-22)27(26(29)35)16-15-21-8-4-5-9-23(21)27/h4-5,8-9,11-14,19,24H,6-7,10,15-18,28H2,1-3H3,(H2-,29,31,32,35)/p+1