2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[3-(4-propylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[3-(4-propylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]-N-[3-(4-propyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]-N-[3-(4-propylpiperazino)propyl]acetamide Formula: C26H36N6O2S MolecularWeight: 496.66804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCCN1CCN(CC1)CCCNC(=O)CS(=O)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H36N6O2S/c1-2-12-29-16-18-30(19-17-29)13-8-11-27-25(33)22-35(34)21-23-20-28-32(24-9-4-3-5-10-24)26(23)31-14-6-7-15-31/h3-7,9-10,14-15,20H,2,8,11-13,16-19,21-22H2,1H3,(H,27,33)