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

Systemtic Name: methyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC(=O)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC(=O)OC

InChI

InChI=1S/C23H25N3O5S2/c1-16-7-5-6-14-26(16)33(29,30)18-12-10-17(11-13-18)22(28)24-23-25(15-21(27)31-2)19-8-3-4-9-20(19)32-23/h3-4,8-13,16H,5-7,14-15H2,1-2H3