N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O6S/c1-16(21(25)22-12-11-17-7-3-2-4-8-17)30-20-10-9-18(15-19(20)24(26)27)31(28,29)23-13-5-6-14-23/h7,9-10,15-16H,2-6,8,11-14H2,1H3,(H,22,25)