ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H29N3O7S3 MolecularWeight: 579.70866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O7S3/c1-3-35-23(29)17-28-21-13-12-20(37(2,31)32)16-22(21)36-25(28)26-24(30)18-8-10-19(11-9-18)38(33,34)27-14-6-4-5-7-15-27/h8-13,16H,3-7,14-15,17H2,1-2H3