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

Systemtic Name: methyl 2-[2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(4-methylpiperidino)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H24N4O7S2 MolecularWeight: 532.58926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)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

CC1CCN(CC1)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/c1-15-9-11-25(12-10-15)36(32,33)18-6-3-16(4-7-18)22(29)24-23-26(14-21(28)34-2)19-8-5-17(27(30)31)13-20(19)35-23/h3-8,13,15H,9-12,14H2,1-2H3