4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C22H32N6O4S2 MolecularWeight: 508.65728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O4S2/c1-4-14-27-21(17-9-6-5-7-10-17)24-25-22(27)33-20-12-11-18(16-19(20)28(29)30)34(31,32)23-13-8-15-26(2)3/h4,11-12,16-17,23H,1,5-10,13-15H2,2-3H3