2-[5-methoxy-2-[4-[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]butoxy]phenyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[5-methoxy-2-[4-[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]butoxy]phenyl]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-[4-[4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]butoxy]-5-methoxy-phenyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-[2-[4-[4-(2-hydroxy-2-phenylethyl)-1-piperazinyl]butoxy]-5-methoxyphenyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-[4-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]butoxy]-5-methoxyphenyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-[4-[4-(2-hydroxy-2-phenyl-ethyl)piperazino]butoxy]-5-methoxy-phenyl]-4H-1,4-benzothiazin-3-one Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCCN2CCN(CC2)CC(C3=CC=CC=C3)O)C4C(=O)NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCCN2CCN(CC2)CC(C3=CC=CC=C3)O)C4C(=O)NC5=CC=CC=C5S4

InChI

InChI=1S/C31H37N3O4S/c1-37-24-13-14-28(25(21-24)30-31(36)32-26-11-5-6-12-29(26)39-30)38-20-8-7-15-33-16-18-34(19-17-33)22-27(35)23-9-3-2-4-10-23/h2-6,9-14,21,27,30,35H,7-8,15-20,22H2,1H3,(H,32,36)