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

Systemtic Name: ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-5-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=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C

InChI

InChI=1S/C24H26N4O7S2/c1-3-35-22(29)15-26-20-14-18(28(31)32)9-12-21(20)36-24(26)25-23(30)17-7-10-19(11-8-17)37(33,34)27-13-5-4-6-16(27)2/h7-12,14,16H,3-6,13,15H2,1-2H3