N-[(3-methylthiophen-2-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3-methyl-2-thienyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3-methylthiophen-2-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(3-methyl-2-thienyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C17H20N4O5S2 MolecularWeight: 424.4945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S2/c1-13-5-10-27-16(13)12-18-17(22)19-6-8-20(9-7-19)28(25,26)15-4-2-3-14(11-15)21(23)24/h2-5,10-11H,6-9,12H2,1H3,(H,18,22)