N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O7S/c1-14-6-8-18(15(2)12-14)23-22(28)24-21(27)16(3)33-20-9-7-17(13-19(20)26(29)30)34(31,32)25-10-4-5-11-25/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H2,23,24,27,28)