2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[cyclopropyl-[(4-isopropylphenyl)methyl]amino]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[cyclopropyl-(4-isopropylbenzyl)amino]-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4CC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4CC4

InChI

InChI=1S/C23H31N3O3S2/c1-18(2)20-7-5-19(6-8-20)16-25(21-9-10-21)17-22(27)24-11-13-26(14-12-24)31(28,29)23-4-3-15-30-23/h3-8,15,18,21H,9-14,16-17H2,1-2H3