2-(2-azanylethanoylamino)-N-[2-methyl-5-(phenylsulfonylamino)phenyl]-3-oxidanyl-propanamide

Systemtic Name: 2-(2-azanylethanoylamino)-N-[2-methyl-5-(phenylsulfonylamino)phenyl]-3-oxidanyl-propanamide Openeye Name: 2-[(2-aminoacetyl)amino]-N-[5-(benzenesulfonamido)-2-methyl-phenyl]-3-hydroxy-propanamide CAS Name: 2-[(2-amino-1-oxoethyl)amino]-N-[5-(benzenesulfonamido)-2-methylphenyl]-3-hydroxypropanamide IUPAC Name: 2-[(2-aminoacetyl)amino]-N-[5-(benzenesulfonamido)-2-methylphenyl]-3-hydroxypropanamide Traditional Name: N-[5-(benzenesulfonamido)-2-methyl-phenyl]-2-(glycylamino)-3-hydroxy-propionamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C(CO)NC(=O)CN

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C(CO)NC(=O)CN

InChI

InChI=1S/C18H22N4O5S/c1-12-7-8-13(22-28(26,27)14-5-3-2-4-6-14)9-15(12)21-18(25)16(11-23)20-17(24)10-19/h2-9,16,22-23H,10-11,19H2,1H3,(H,20,24)(H,21,25)