4-(4-ethanoylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(4-acetylphenyl)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]piperazine-1-carboxamide CAS Name: 4-(4-acetylphenyl)-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-acetylphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-acetylphenyl)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]piperazine-1-carboxamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O4S2/c1-17(27)18-4-6-19(7-5-18)24-12-14-25(15-13-24)22(28)23-16-20-8-9-21(31-20)32(29,30)26-10-2-3-11-26/h4-9H,2-3,10-16H2,1H3,(H,23,28)