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

Systemtic Name: 1-[5-nitro-1-(phenylsulfonyl)indol-2-yl]-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 1-[1-(benzenesulfonyl)-5-nitro-indol-2-yl]-3-(1-benzyl-4-piperidyl)propan-1-one CAS Name: 1-[1-(benzenesulfonyl)-5-nitro-2-indolyl]-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 1-[1-(benzenesulfonyl)-5-nitroindol-2-yl]-3-(1-benzylpiperidin-4-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(1-besyl-5-nitro-indol-2-yl)propan-1-one Formula: C29H29N3O5S MolecularWeight: 531.62266

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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+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O5S/c33-29(14-11-22-15-17-30(18-16-22)21-23-7-3-1-4-8-23)28-20-24-19-25(32(34)35)12-13-27(24)31(28)38(36,37)26-9-5-2-6-10-26/h1-10,12-13,19-20,22H,11,14-18,21H2