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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloranyl-5-methoxy-4-propoxy-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-5-methoxy-4-propoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-chloro-5-methoxy-4-propoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-5-methoxy-4-propoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-chloro-5-methoxy-4-propoxy-phenyl)methanone Formula: C21H32ClN3O5S MolecularWeight: 474.01388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H32ClN3O5S/c1-3-14-30-20-18(22)15-17(16-19(20)29-2)21(26)23-10-12-25(13-11-23)31(27,28)24-8-6-4-5-7-9-24/h15-16H,3-14H2,1-2H3