1-(3-chlorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]cyclobutane-1-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]cyclobutane-1-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]cyclobutanecarboxamide CAS Name: 1-(3-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-cyclobutanecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]cyclobutane-1-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]cyclobutanecarboxamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2(CCC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2(CCC2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5S/c1-30(28,29)16-6-7-17(18(13-16)24(26)27)22-10-11-23-19(25)20(8-3-9-20)14-4-2-5-15(21)12-14/h2,4-7,12-13,22H,3,8-11H2,1H3,(H,23,25)