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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)OC

InChI

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