N-[3-[4-[2-(4-methylsulfonylphenyl)ethanoyl-prop-2-enyl-amino]piperidin-1-yl]-1-phenyl-propyl]cyclobutanecarboxamide

Systemtic Name: N-[3-[4-[2-(4-methylsulfonylphenyl)ethanoyl-prop-2-enyl-amino]piperidin-1-yl]-1-phenyl-propyl]cyclobutanecarboxamide Openeye Name: N-[3-[4-[allyl-[2-(4-methylsulfonylphenyl)acetyl]amino]-1-piperidyl]-1-phenyl-propyl]cyclobutanecarboxamide CAS Name: N-[3-[4-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]-prop-2-enylamino]-1-piperidinyl]-1-phenylpropyl]cyclobutanecarboxamide IUPAC Name: N-[3-[4-[[2-(4-methylsulfonylphenyl)acetyl]-prop-2-enylamino]piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide Traditional Name: N-[3-[4-[allyl-[2-(4-mesylphenyl)acetyl]amino]piperidino]-1-phenyl-propyl]cyclobutanecarboxamide Formula: C31H41N3O4S MolecularWeight: 551.73994

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N(CC=C)C2CCN(CC2)CCC(C3=CC=CC=C3)NC(=O)C4CCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)N(CC=C)C2CCN(CC2)CCC(C3=CC=CC=C3)NC(=O)C4CCC4

InChI

InChI=1S/C31H41N3O4S/c1-3-19-34(30(35)23-24-12-14-28(15-13-24)39(2,37)38)27-16-20-33(21-17-27)22-18-29(25-8-5-4-6-9-25)32-31(36)26-10-7-11-26/h3-6,8-9,12-15,26-27,29H,1,7,10-11,16-23H2,2H3,(H,32,36)