5-(2-bromophenyl)sulfanyl-3-(1-butan-2-ylpiperidin-4-yl)-1H-indole methanoate

Systemtic Name: 5-(2-bromophenyl)sulfanyl-3-(1-butan-2-ylpiperidin-4-yl)-1H-indole methanoate Openeye Name: 5-(2-bromophenyl)sulfanyl-3-(1-sec-butyl-4-piperidyl)-1H-indole formate CAS Name: 5-[(2-bromophenyl)thio]-3-(1-butan-2-yl-4-piperidinyl)-1H-indole formate IUPAC Name: 5-(2-bromophenyl)sulfanyl-3-(1-butan-2-ylpiperidin-4-yl)-1H-indole formate Traditional Name: 5-[(2-bromophenyl)thio]-3-(1-sec-butyl-4-piperidyl)-1H-indole formate Formula: C24H28BrN2O2S- MolecularWeight: 488.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4Br.C(=O)[O-]

Isomeric SMILES

CCC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4Br.C(=O)[O-]

InChI

InChI=1S/C23H27BrN2S.CH2O2/c1-3-16(2)26-12-10-17(11-13-26)20-15-25-22-9-8-18(14-19(20)22)27-23-7-5-4-6-21(23)24;2-1-3/h4-9,14-17,25H,3,10-13H2,1-2H3;1H,(H,2,3)/p-1