4-acetamido-2-(1-azanyl-2,3-dihydro-1H-inden-5-yl)-2-(4-chlorophenyl)sulfonyl-butanoic acid

Systemtic Name: 4-acetamido-2-(1-azanyl-2,3-dihydro-1H-inden-5-yl)-2-(4-chlorophenyl)sulfonyl-butanoic acid Openeye Name: 4-acetamido-2-(1-aminoindan-5-yl)-2-(4-chlorophenyl)sulfonyl-butanoic acid CAS Name: 4-acetamido-2-(1-amino-2,3-dihydro-1H-inden-5-yl)-2-(4-chlorophenyl)sulfonylbutanoic acid IUPAC Name: 4-acetamido-2-(1-amino-2,3-dihydro-1H-inden-5-yl)-2-(4-chlorophenyl)sulfonylbutanoic acid Traditional Name: 4-acetamido-2-(1-aminoindan-5-yl)-2-(4-chlorophenyl)sulfonyl-butyric acid Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(C1=CC2=C(C=C1)C(CC2)N)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCCC(C1=CC2=C(C=C1)C(CC2)N)(C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-13(25)24-11-10-21(20(26)27,30(28,29)17-6-4-16(22)5-7-17)15-3-8-18-14(12-15)2-9-19(18)23/h3-8,12,19H,2,9-11,23H2,1H3,(H,24,25)(H,26,27)