1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-phenothiazin-10-yl-propan-1-one

Systemtic Name: 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-phenothiazin-10-yl-propan-1-one Openeye Name: 3-phenothiazin-10-yl-1-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-3-(10-phenothiazinyl)-1-propanone IUPAC Name: 1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-phenothiazin-10-ylpropan-1-one Traditional Name: 3-phenothiazin-10-yl-1-[4-(4-sec-butylphenyl)sulfonylpiperazino]propan-1-one Formula: C29H33N3O3S2 MolecularWeight: 535.72062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C29H33N3O3S2/c1-3-22(2)23-12-14-24(15-13-23)37(34,35)31-20-18-30(19-21-31)29(33)16-17-32-25-8-4-6-10-27(25)36-28-11-7-5-9-26(28)32/h4-15,22H,3,16-21H2,1-2H3