N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-1-phenyl-cyclopentanecarboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2(CCCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2(CCCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-30(28,29)17-9-10-18(19(15-17)24(26)27)22-13-14-23-20(25)21(11-5-6-12-21)16-7-3-2-4-8-16/h2-4,7-10,15,22H,5-6,11-14H2,1H3,(H,23,25)