N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H30N6O4S2 MolecularWeight: 542.6735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CCCN=CNN)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CCCN=CNN)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N6O4S2/c1-17-10-12-18(13-11-17)37(34,35)31-15-5-8-21(31)24(33)29-20(7-4-14-27-16-28-26)23(32)25-30-19-6-2-3-9-22(19)36-25/h2-3,6,9-13,16,20-21H,4-5,7-8,14-15,26H2,1H3,(H,27,28)(H,29,33)