[6-methylsulfinyl-9-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-hexylbenzoate

Systemtic Name: [6-methylsulfinyl-9-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-hexylbenzoate Openeye Name: [6-methylsulfinyl-9-(2-thiomorpholinoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [6-methylsulfinyl-9-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [6-methylsulfinyl-9-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [6-methylsulfinyl-9-(2-thiomorpholinoethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C32H42N2O3S2 MolecularWeight: 566.81748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC3=C(C2)C4=C(N3CCN5CCSCC5)C=CC(=C4)S(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC3=C(C2)C4=C(N3CCN5CCSCC5)C=CC(=C4)S(=O)C

InChI

InChI=1S/C32H42N2O3S2/c1-3-4-5-6-7-24-8-10-25(11-9-24)32(35)37-26-12-14-30-28(22-26)29-23-27(39(2)36)13-15-31(29)34(30)17-16-33-18-20-38-21-19-33/h8-11,13,15,23,26H,3-7,12,14,16-22H2,1-2H3