[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-isopentyloxy-3-methoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-isoamoxy-3-methoxy-phenyl)methanone Formula: C23H37N3O5S MolecularWeight: 467.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H37N3O5S/c1-19(2)10-17-31-21-9-8-20(18-22(21)30-3)23(27)24-13-15-26(16-14-24)32(28,29)25-11-6-4-5-7-12-25/h8-9,18-19H,4-7,10-17H2,1-3H3