N-(2-azanylethyl)-1-(3-nitrophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-nitrophenyl)carbonyl-3-thiophen-2-ylsulfonyl-imidazolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-nitrobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-nitrophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-nitrobenzoyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-nitrobenzoyl)-3-(2-thienylsulfonyl)imidazolidine-2-carboxamide Formula: C17H19N5O6S2 MolecularWeight: 453.49266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19N5O6S2/c18-6-7-19-15(23)16-20(17(24)12-3-1-4-13(11-12)22(25)26)8-9-21(16)30(27,28)14-5-2-10-29-14/h1-5,10-11,16H,6-9,18H2,(H,19,23)