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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[2-methoxyethyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C26H35N5O5S MolecularWeight: 529.6516

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NC4CCC(CC4)N

InChI

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