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

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)-4-chloranyl-benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-3-(1-azepanylsulfonyl)-4-chlorobenzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)-4-chlorobenzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC(=CS3)CC(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC(=CS3)CC(=O)N)Cl

InChI

InChI=1S/C18H21ClN4O4S2/c19-14-6-5-12(17(25)22-18-21-13(11-28-18)10-16(20)24)9-15(14)29(26,27)23-7-3-1-2-4-8-23/h5-6,9,11H,1-4,7-8,10H2,(H2,20,24)(H,21,22,25)