5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-1-(phenylsulfonyl)indole

Systemtic Name: 5-[4-[4-(phenylmethyl)piperidin-1-yl]but-1-ynyl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-5-[4-(4-benzyl-1-piperidyl)but-1-ynyl]indole CAS Name: 1-(benzenesulfonyl)-5-[4-[4-(phenylmethyl)-1-piperidinyl]but-1-ynyl]indole IUPAC Name: 1-(benzenesulfonyl)-5-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]indole Traditional Name: 5-[4-(4-benzylpiperidino)but-1-ynyl]-1-besyl-indole Formula: C30H30N2O2S MolecularWeight: 482.6364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC#CC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H30N2O2S/c33-35(34,29-12-5-2-6-13-29)32-22-18-28-24-26(14-15-30(28)32)11-7-8-19-31-20-16-27(17-21-31)23-25-9-3-1-4-10-25/h1-6,9-10,12-15,18,22,24,27H,8,16-17,19-21,23H2