3-[(5R)-5-[2-[1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide

Systemtic Name: 3-[(5R)-5-[2-[1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide Openeye Name: 3-[(1R)-1-[[2-[3-oxo-1-(p-tolylsulfonyl)piperazin-2-yl]acetyl]amino]tetralin-6-yl]benzamide CAS Name: 3-[(5R)-5-[[2-[1-(4-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]-1-oxoethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide IUPAC Name: 3-[(5R)-5-[[2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide Traditional Name: 3-[(1R)-1-[[2-(3-keto-1-tosyl-piperazin-2-yl)acetyl]amino]tetralin-6-yl]benzamide Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)NC3CCCC4=C3C=CC(=C4)C5=CC(=CC=C5)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)N[C@@H]3CCCC4=C3C=CC(=C4)C5=CC(=CC=C5)C(=O)N

InChI

InChI=1S/C30H32N4O5S/c1-19-8-11-24(12-9-19)40(38,39)34-15-14-32-30(37)27(34)18-28(35)33-26-7-3-5-22-16-21(10-13-25(22)26)20-4-2-6-23(17-20)29(31)36/h2,4,6,8-13,16-17,26-27H,3,5,7,14-15,18H2,1H3,(H2,31,36)(H,32,37)(H,33,35)/t26-,27?/m1/s1