1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C20H29N5O2S2 MolecularWeight: 435.60656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C20H29N5O2S2/c1-16-15-17(2)22-20(21-16)24-10-6-18(7-11-24)23-8-4-9-25(13-12-23)29(26,27)19-5-3-14-28-19/h3,5,14-15,18H,4,6-13H2,1-2H3