4-[[6-[[4-(aziridin-1-ylsulfonyl)phenyl]methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[[4-(aziridin-1-ylsulfonyl)phenyl]methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[[4-(aziridin-1-ylsulfonyl)phenyl]methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[[4-(1-aziridinylsulfonyl)phenyl]methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[[4-(aziridin-1-ylsulfonyl)phenyl]methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(4-ethyleniminosulfonylbenzyl)carbamoyl]-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C(C4=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)NC=C(C4=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H23N3O6S/c31-25-21(13-17-1-5-19(6-2-17)27(33)34)16-28-24-10-7-20(14-23(24)25)26(32)29-15-18-3-8-22(9-4-18)37(35,36)30-11-12-30/h1-10,14,16H,11-13,15H2,(H,28,31)(H,29,32)(H,33,34)