2-[cyclopropyl(1-cyclopropylethyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[cyclopropyl(1-cyclopropylethyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[cyclopropyl(1-cyclopropylethyl)amino]ethanone CAS Name: 2-[cyclopropyl(1-cyclopropylethyl)amino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[cyclopropyl(1-cyclopropylethyl)amino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[cyclopropyl(1-cyclopropylethyl)amino]ethanone Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C1CC1)N(CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H31N3O3S/c1-17(19-7-8-19)24(20-9-10-20)15-21(25)22-11-13-23(14-12-22)28(26,27)16-18-5-3-2-4-6-18/h2-6,17,19-20H,7-16H2,1H3