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

Systemtic Name: N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]butanamide CAS Name: N-[4-(4-nitro-2-thiophenyl)-2-thiazolyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(4-nitro-2-thienyl)thiazol-2-yl]butyramide Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S3/c22-17(7-4-8-29(25,26)12-13-5-2-1-3-6-13)20-18-19-15(11-28-18)16-9-14(10-27-16)21(23)24/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,20,22)