2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-[1-(phenylmethyl)-3-propyl-pyrazol-4-yl]benzamide

Systemtic Name: 2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-[1-(phenylmethyl)-3-propyl-pyrazol-4-yl]benzamide Openeye Name: N-(1-benzyl-3-propyl-pyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]-N-[1-(phenylmethyl)-3-propyl-4-pyrazolyl]benzamide IUPAC Name: N-(1-benzyl-3-propylpyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(1-benzyl-3-propyl-pyrazol-4-yl)-2-ethoxy-5-(4-methylpiperazino)sulfonyl-benzamide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN(C=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O4S/c1-4-9-24-25(20-31(29-24)19-21-10-7-6-8-11-21)28-27(33)23-18-22(12-13-26(23)36-5-2)37(34,35)32-16-14-30(3)15-17-32/h6-8,10-13,18,20H,4-5,9,14-17,19H2,1-3H3,(H,28,33)