ethyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3-methylpiperidino)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H26N4O7S2 MolecularWeight: 546.61584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

InChI

InChI=1S/C24H26N4O7S2/c1-3-35-22(29)15-27-20-11-8-18(28(31)32)13-21(20)36-24(27)25-23(30)17-6-9-19(10-7-17)37(33,34)26-12-4-5-16(2)14-26/h6-11,13,16H,3-5,12,14-15H2,1-2H3