methyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H26N4O7S2 MolecularWeight: 546.61584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC)C

InChI

InChI=1S/C24H26N4O7S2/c1-15-10-16(2)13-26(12-15)37(33,34)19-7-4-17(5-8-19)23(30)25-24-27(14-22(29)35-3)20-11-18(28(31)32)6-9-21(20)36-24/h4-9,11,15-16H,10,12-14H2,1-3H3