2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]acetamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5S/c1-30-21-8-4-3-7-18(21)20(25-11-5-6-12-25)14-24-23(27)16-32-15-17-9-10-22(31-2)19(13-17)26(28)29/h3-4,7-10,13,20H,5-6,11-12,14-16H2,1-2H3,(H,24,27)