N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-anisoyl-4-[(4-nitrobenzyl)-(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C27H31N5O5S/c1-37-23-5-2-4-20(14-23)27(34)31-17-22(15-25(31)26(33)29-12-11-28)30(18-24-6-3-13-38-24)16-19-7-9-21(10-8-19)32(35)36/h2-10,13-14,22,25H,11-12,15-18,28H2,1H3,(H,29,33)