N-[2-(cyclopropylmethyl)-6-methanoyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: N-[2-(cyclopropylmethyl)-6-methanoyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide Openeye Name: N-[2-(cyclopropylmethyl)-6-formyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: N-[2-(cyclopropylmethyl)-6-formyl-3-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]benzenesulfonamide IUPAC Name: N-[2-(cyclopropylmethyl)-6-formyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: N-[2-(cyclopropylmethyl)-6-formyl-3-[4-(2-pyrimidyl)piperazino]phenyl]benzenesulfonamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=C(C=CC(=C2NS(=O)(=O)C3=CC=CC=C3)C=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC1CC2=C(C=CC(=C2NS(=O)(=O)C3=CC=CC=C3)C=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H27N5O3S/c31-18-20-9-10-23(29-13-15-30(16-14-29)25-26-11-4-12-27-25)22(17-19-7-8-19)24(20)28-34(32,33)21-5-2-1-3-6-21/h1-6,9-12,18-19,28H,7-8,13-17H2