4-(3,4-dimethylphenyl)-4-oxidanylidene-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide

Systemtic Name: 4-(3,4-dimethylphenyl)-4-oxidanylidene-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide Openeye Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]butanamide CAS Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]butanamide IUPAC Name: 4-(3,4-dimethylphenyl)-4-oxo-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]butyramide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2O4S2/c1-15-5-6-17(13-16(15)2)19(24)8-9-20(25)22-14-18-7-10-21(28-18)29(26,27)23-11-3-4-12-23/h5-7,10,13H,3-4,8-9,11-12,14H2,1-2H3,(H,22,25)