N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]propanamide CAS Name: N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-benzylsulfonyl-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]propionamide Formula: C17H15N3O5S3 MolecularWeight: 437.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC(=CS2)C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S3/c21-16(6-7-28(24,25)11-12-4-2-1-3-5-12)19-17-18-14(10-27-17)15-8-13(9-26-15)20(22)23/h1-5,8-10H,6-7,11H2,(H,18,19,21)