1-(4-methylphenyl)sulfonyl-3-[(4Z)-7-methyl-5-propyl-octa-4,7-dien-4-yl]indole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-[(4Z)-7-methyl-5-propyl-octa-4,7-dien-4-yl]indole Openeye Name: 3-[(1Z)-4-methyl-1,2-dipropyl-penta-1,4-dienyl]-1-(p-tolylsulfonyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-3-[(4Z)-7-methyl-5-propylocta-4,7-dien-4-yl]indole IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[(4Z)-7-methyl-5-propylocta-4,7-dien-4-yl]indole Traditional Name: 3-[(1Z)-4-methyl-1,2-dipropyl-penta-1,4-dienyl]-1-tosyl-indole Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(CCC)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)CC(=C)C

Isomeric SMILES

CCC/C(=C(\CCC)/C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C)/CC(=C)C

InChI

InChI=1S/C27H33NO2S/c1-6-10-22(18-20(3)4)24(11-7-2)26-19-28(27-13-9-8-12-25(26)27)31(29,30)23-16-14-21(5)15-17-23/h8-9,12-17,19H,3,6-7,10-11,18H2,1-2,4-5H3/b24-22-