[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-4-isobutoxy-5-methoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-chloro-4-isobutoxy-5-methoxy-phenyl)methanone Formula: C22H34ClN3O5S MolecularWeight: 488.04046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H34ClN3O5S/c1-17(2)16-31-21-19(23)14-18(15-20(21)30-3)22(27)24-10-12-26(13-11-24)32(28,29)25-8-6-4-5-7-9-25/h14-15,17H,4-13,16H2,1-3H3