(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-[4-(2-thenoyl)piperazino]methanone Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S2/c1-29-17-7-6-16(15-19(17)31(27,28)24-8-2-3-9-24)20(25)22-10-12-23(13-11-22)21(26)18-5-4-14-30-18/h4-7,14-15H,2-3,8-13H2,1H3