N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C21H29N5O5S2 MolecularWeight: 495.61546

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CSC=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CSC=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S2/c1-22-18-5-4-17(12-19(18)26(28)29)33(30,31)25-9-6-15(7-10-25)21(27)23-13-20(24(2)3)16-8-11-32-14-16/h4-5,8,11-12,14-15,20,22H,6-7,9-10,13H2,1-3H3,(H,23,27)