[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-[2-(3-thienyl)pyrrolidin-1-yl]methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-[2-(3-thiophenyl)-1-pyrrolidinyl]methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-[2-(3-thienyl)pyrrolidino]methanone Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C4=CSC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C4=CSC=C4

InChI

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