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

Systemtic Name: 4-(2-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(2-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]piperazine-1-carboxamide CAS Name: 4-(2-methoxyphenyl)-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-methoxyphenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2-methoxyphenyl)-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]piperazine-1-carboxamide Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O4S2/c1-29-19-7-3-2-6-18(19)23-12-14-24(15-13-23)21(26)22-16-17-8-9-20(30-17)31(27,28)25-10-4-5-11-25/h2-3,6-9H,4-5,10-16H2,1H3,(H,22,26)