1-(2-azanylethanoyl)-N-(4-phenyldiazenylnaphthalen-1-yl)pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(2-azanylethanoyl)-N-(4-phenyldiazenylnaphthalen-1-yl)pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 1-(2-aminoacetyl)-N-(4-phenylazo-1-naphthyl)pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 1-(2-amino-1-oxoethyl)-N-(4-phenyldiazenyl-1-naphthalenyl)-2-pyrrolidinecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-(2-aminoacetyl)-N-(4-phenyldiazenylnaphthalen-1-yl)pyrrolidine-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 1-glycyl-N-(4-phenylazo-1-naphthyl)pyrrolidine-2-carboxamide; tosylic acid Formula: C30H31N5O5S MolecularWeight: 573.66264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(N(C1)C(=O)CN)C(=O)NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(N(C1)C(=O)CN)C(=O)NC2=CC=C(C3=CC=CC=C32)N=NC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2.C7H8O3S/c24-15-22(29)28-14-6-11-21(28)23(30)25-19-12-13-20(18-10-5-4-9-17(18)19)27-26-16-7-2-1-3-8-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7-10,12-13,21H,6,11,14-15,24H2,(H,25,30);2-5H,1H3,(H,8,9,10)