N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-2-chloro-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C16H17ClN4O4S2 MolecularWeight: 428.91358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC(=CS3)CC(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NC(=CS3)CC(=O)N

InChI

InChI=1S/C16H17ClN4O4S2/c17-13-4-3-11(27(24,25)21-5-1-2-6-21)8-12(13)15(23)20-16-19-10(9-26-16)7-14(18)22/h3-4,8-9H,1-2,5-7H2,(H2,18,22)(H,19,20,23)