N-tert-butyl-4-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[3-[(2S)-2-methyl-1-piperidyl]propylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[3-[(2S)-2-methyl-1-piperidinyl]propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[3-[(2S)-2-methylpiperidino]propylamino]-3-nitro-benzenesulfonamide Formula: C19H32N4O4S MolecularWeight: 412.54678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H32N4O4S/c1-15-8-5-6-12-22(15)13-7-11-20-17-10-9-16(14-18(17)23(24)25)28(26,27)21-19(2,3)4/h9-10,14-15,20-21H,5-8,11-13H2,1-4H3/t15-/m0/s1