N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-thiophen-2-ylsulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-thiophen-2-ylsulfonyl-piperazine-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(2-thienylsulfonyl)piperazine-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-thiophen-2-ylsulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-thiophen-2-ylsulfonylpiperazine-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(2-thienylsulfonyl)piperazine-1-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S2/c1-16(2)17-7-5-8-18(15-17)21(3,4)22-20(25)23-10-12-24(13-11-23)29(26,27)19-9-6-14-28-19/h5-9,14-15H,1,10-13H2,2-4H3,(H,22,25)