1-[5-azanyl-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[5-azanyl-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[5-amino-1-(benzenesulfonyl)indol-2-yl]-3-(1-benzyl-4-piperidyl)propan-1-one CAS Name: 1-[5-amino-1-(benzenesulfonyl)-2-indolyl]-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 1-[5-amino-1-(benzenesulfonyl)indol-2-yl]-3-(1-benzylpiperidin-4-yl)propan-1-one Traditional Name: 1-(5-amino-1-besyl-indol-2-yl)-3-(1-benzyl-4-piperidyl)propan-1-one Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)N)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCC(=O)C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)N)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3S/c30-25-12-13-27-24(19-25)20-28(32(27)36(34,35)26-9-5-2-6-10-26)29(33)14-11-22-15-17-31(18-16-22)21-23-7-3-1-4-8-23/h1-10,12-13,19-20,22H,11,14-18,21,30H2