(2S)-N-cycloheptyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide

Systemtic Name: (2S)-N-cycloheptyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide Openeye Name: (2S)-N-cycloheptyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanamide CAS Name: (2S)-N-cycloheptyl-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propanamide IUPAC Name: (2S)-N-cycloheptyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide Traditional Name: (2S)-N-cycloheptyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propionamide Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6S/c1-15(20(24)21-16-8-4-2-3-5-9-16)29-19-11-10-17(14-18(19)23(25)26)30(27,28)22-12-6-7-13-22/h10-11,14-16H,2-9,12-13H2,1H3,(H,21,24)/t15-/m0/s1