[(2S)-2-(phenylmethyl)pyrrolidin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

Systemtic Name: [(2S)-2-(phenylmethyl)pyrrolidin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Openeye Name: [(2S)-2-benzylpyrrolidin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone CAS Name: [(2S)-2-(phenylmethyl)-1-pyrrolidinyl]-[3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methanone IUPAC Name: [(2S)-2-benzylpyrrolidin-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: [(2S)-2-benzylpyrrolidino]-[3-(4-phenylpiperazino)sulfonylphenyl]methanone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c32-28(31-16-8-14-26(31)21-23-9-3-1-4-10-23)24-11-7-15-27(22-24)35(33,34)30-19-17-29(18-20-30)25-12-5-2-6-13-25/h1-7,9-13,15,22,26H,8,14,16-21H2/t26-/m0/s1