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

Systemtic Name: ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H28N4O7S2 MolecularWeight: 560.64242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O7S2/c1-3-18-7-5-6-14-28(18)38(34,35)20-11-8-17(9-12-20)24(31)26-25-27(16-23(30)36-4-2)21-13-10-19(29(32)33)15-22(21)37-25/h8-13,15,18H,3-7,14,16H2,1-2H3