N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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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)NCC(C3=CC=CS3)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CS3)N(C)C

InChI

InChI=1S/C21H28N4O5S2/c1-15-6-7-17(25(27)28)13-20(15)32(29,30)24-10-8-16(9-11-24)21(26)22-14-18(23(2)3)19-5-4-12-31-19/h4-7,12-13,16,18H,8-11,14H2,1-3H3,(H,22,26)