N-[2-[methyl-(phenylmethyl)amino]ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide

Systemtic Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[2-[benzyl(methyl)amino]ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[2-[benzyl(methyl)amino]ethyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-[2-[benzyl(methyl)amino]ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC(=O)CS(=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(CCNC(=O)CS(=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2S/c1-29(19-22-10-4-2-5-11-22)17-14-27-25(32)21-34(33)20-23-18-28-31(24-12-6-3-7-13-24)26(23)30-15-8-9-16-30/h2-13,15-16,18H,14,17,19-21H2,1H3,(H,27,32)