2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-(pyridin-4-ylmethyl)-1,3-thiazinan-4-one

Systemtic Name: 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-(pyridin-4-ylmethyl)-1,3-thiazinan-4-one Openeye Name: 2-[1-(p-tolylsulfonyl)pyrrol-2-yl]-3-(4-pyridylmethyl)-1,3-thiazinan-4-one CAS Name: 2-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-3-(pyridin-4-ylmethyl)-1,3-thiazinan-4-one IUPAC Name: 2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-(pyridin-4-ylmethyl)-1,3-thiazinan-4-one Traditional Name: 3-(4-pyridylmethyl)-2-(1-tosylpyrrol-2-yl)-1,3-thiazinan-4-one Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C3N(C(=O)CCS3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C3N(C(=O)CCS3)CC4=CC=NC=C4

InChI

InChI=1S/C21H21N3O3S2/c1-16-4-6-18(7-5-16)29(26,27)24-13-2-3-19(24)21-23(20(25)10-14-28-21)15-17-8-11-22-12-9-17/h2-9,11-13,21H,10,14-15H2,1H3