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

Systemtic Name: methyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C23H24N4O7S2/c1-15-4-3-11-25(13-15)36(32,33)18-8-5-16(6-9-18)22(29)24-23-26(14-21(28)34-2)19-10-7-17(27(30)31)12-20(19)35-23/h5-10,12,15H,3-4,11,13-14H2,1-2H3