N-(4-azanylcyclohexyl)-1-(2-methoxyethanoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-(2-methoxyethanoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-1-(2-methoxy-1-oxoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-1-(2-methoxyacetyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C26H35N5O5S MolecularWeight: 529.6516

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

COCC(=O)N1CC(CC1C(=O)NC2CCC(CC2)N)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C26H35N5O5S/c1-36-17-25(32)30-15-22(13-24(30)26(33)28-20-8-6-19(27)7-9-20)29(16-23-3-2-12-37-23)14-18-4-10-21(11-5-18)31(34)35/h2-5,10-12,19-20,22,24H,6-9,13-17,27H2,1H3,(H,28,33)