2-[(1-cyclopropylpiperidin-4-yl)amino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[(1-cyclopropylpiperidin-4-yl)amino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[(1-cyclopropyl-4-piperidyl)amino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[(1-cyclopropyl-4-piperidinyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[(1-cyclopropylpiperidin-4-yl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[(1-cyclopropyl-4-piperidyl)amino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCN(CC3)C4CC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCN(CC3)C4CC4

InChI

InChI=1S/C21H26N4O5S/c1-30-20-5-3-2-4-18(20)23-31(28,29)21-14-17(25(26)27)8-9-19(21)22-15-10-12-24(13-11-15)16-6-7-16/h2-5,8-9,14-16,22-23H,6-7,10-13H2,1H3