[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H26ClN5O3S MolecularWeight: 463.98084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C21H26ClN5O3S/c22-18-7-6-17(16-19(18)31(29,30)27-10-3-1-2-4-11-27)20(28)25-12-14-26(15-13-25)21-23-8-5-9-24-21/h5-9,16H,1-4,10-15H2