1-[6-methyl-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-[6-methyl-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[1-(benzenesulfonyl)-6-methyl-indol-2-yl]-3-(1-benzyl-4-piperidyl)propan-1-one CAS Name: 1-[1-(benzenesulfonyl)-6-methyl-2-indolyl]-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 1-[1-(benzenesulfonyl)-6-methylindol-2-yl]-3-(1-benzylpiperidin-4-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(1-besyl-6-methyl-indol-2-yl)propan-1-one Formula: C30H32N2O3S MolecularWeight: 500.65168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N2O3S/c1-23-12-14-26-21-29(32(28(26)20-23)36(34,35)27-10-6-3-7-11-27)30(33)15-13-24-16-18-31(19-17-24)22-25-8-4-2-5-9-25/h2-12,14,20-21,24H,13,15-19,22H2,1H3