(3R,4aS,5R)-4a,5-dimethyl-7-[nitro(phenylsulfonyl)methyl]-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

Systemtic Name: (3R,4aS,5R)-4a,5-dimethyl-7-[nitro(phenylsulfonyl)methyl]-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene Openeye Name: (3R,4aS,5R)-7-[benzenesulfonyl(nitro)methyl]-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene CAS Name: (3R,4aS,5R)-7-[benzenesulfonyl(nitro)methyl]-4a,5-dimethyl-3-(1-methylethenyl)-2,3,4,5,6,7-hexahydro-1H-naphthalene IUPAC Name: (3R,4aS,5R)-7-[benzenesulfonyl(nitro)methyl]-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene Traditional Name: (3R,4aS,5R)-7-[besyl(nitro)methyl]-3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C=C2C1(CC(CC2)C(=C)C)C)C([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC(C=C2[C@]1(C[C@@H](CC2)C(=C)C)C)C([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29NO4S/c1-15(2)17-10-11-19-13-18(12-16(3)22(19,4)14-17)21(23(24)25)28(26,27)20-8-6-5-7-9-20/h5-9,13,16-18,21H,1,10-12,14H2,2-4H3/t16-,17-,18?,21?,22+/m1/s1