N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2-nitroanilino)propanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-nitroanilino)propanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2-nitroanilino)propionamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H26N4O6S/c1-2-31-19-10-9-16(15-20(19)32(29,30)24-13-5-6-14-24)23-21(26)11-12-22-17-7-3-4-8-18(17)25(27)28/h3-4,7-10,15,22H,2,5-6,11-14H2,1H3,(H,23,26)