3-(1-butan-2-ylpiperidin-4-yl)-5-(4-propoxyphenyl)sulfanyl-1H-indole; heptanoic acid

Systemtic Name: 3-(1-butan-2-ylpiperidin-4-yl)-5-(4-propoxyphenyl)sulfanyl-1H-indole; heptanoic acid Openeye Name: heptanoic acid; 5-(4-propoxyphenyl)sulfanyl-3-(1-sec-butyl-4-piperidyl)-1H-indole CAS Name: 3-(1-butan-2-yl-4-piperidinyl)-5-[(4-propoxyphenyl)thio]-1H-indole; heptanoic acid IUPAC Name: 3-(1-butan-2-ylpiperidin-4-yl)-5-(4-propoxyphenyl)sulfanyl-1H-indole; heptanoic acid Traditional Name: enanthic acid; 5-[(4-propoxyphenyl)thio]-3-(1-sec-butyl-4-piperidyl)-1H-indole Formula: C33H48N2O3S MolecularWeight: 552.81082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CCCOC1=CC=C(C=C1)SC2=CC3=C(C=C2)NC=C3C4CCN(CC4)C(C)CC

Isomeric SMILES

CCCCCCC(=O)O.CCCOC1=CC=C(C=C1)SC2=CC3=C(C=C2)NC=C3C4CCN(CC4)C(C)CC

InChI

InChI=1S/C26H34N2OS.C7H14O2/c1-4-16-29-21-6-8-22(9-7-21)30-23-10-11-26-24(17-23)25(18-27-26)20-12-14-28(15-13-20)19(3)5-2;1-2-3-4-5-6-7(8)9/h6-11,17-20,27H,4-5,12-16H2,1-3H3;2-6H2,1H3,(H,8,9)