[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C18H20BrN3O5S2 MolecularWeight: 502.4025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)Br

InChI

InChI=1S/C18H20BrN3O5S2/c19-15-11-20-18(28-15)21-16(23)12-27-17(24)13-6-5-7-14(10-13)29(25,26)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9,12H2,(H,20,21,23)