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

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C21H27N5O4S/c1-15(27)25-13-18(11-20(25)21(28)23-9-8-22)24(14-19-3-2-10-31-19)12-16-4-6-17(7-5-16)26(29)30/h2-7,10,18,20H,8-9,11-14,22H2,1H3,(H,23,28)