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

Systemtic Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O5S2/c1-2-32-22(28)17-27-20-9-5-6-10-21(20)33-24(27)25-23(29)18-11-13-19(14-12-18)34(30,31)26-15-7-3-4-8-16-26/h5-6,9-14H,2-4,7-8,15-17H2,1H3