2-methyl-5-(phenylmethyl)-4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)pyrimidine

Systemtic Name: 2-methyl-5-(phenylmethyl)-4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)pyrimidine Openeye Name: 5-benzyl-2-methyl-4-[1-(2-thienylsulfonyl)-4-piperidyl]pyrimidine CAS Name: 2-methyl-5-(phenylmethyl)-4-(1-thiophen-2-ylsulfonyl-4-piperidinyl)pyrimidine IUPAC Name: 5-benzyl-2-methyl-4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)pyrimidine Traditional Name: 5-benzyl-2-methyl-4-[1-(2-thienylsulfonyl)-4-piperidyl]pyrimidine Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S2/c1-16-22-15-19(14-17-6-3-2-4-7-17)21(23-16)18-9-11-24(12-10-18)28(25,26)20-8-5-13-27-20/h2-8,13,15,18H,9-12,14H2,1H3