N-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-3-keto-propyl]benzenesulfonamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O3S/c1-16(2)21-23-17(3)15-19(24-21)25-11-13-26(14-12-25)20(27)9-10-22-30(28,29)18-7-5-4-6-8-18/h4-8,15-16,22H,9-14H2,1-3H3