(1S)-1-[4-cyclopentyl-5-[(3-methylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine

Systemtic Name: (1S)-1-[4-cyclopentyl-5-[(3-methylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine Openeye Name: (1S)-1-[4-cyclopentyl-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]-3-methyl-butan-1-amine CAS Name: (1S)-1-[4-cyclopentyl-5-[(3-methylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]-3-methyl-1-butanamine IUPAC Name: (1S)-1-[4-cyclopentyl-5-[(3-methylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]-3-methylbutan-1-amine Traditional Name: [(1S)-1-[4-cyclopentyl-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]-3-methyl-butyl]amine Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2C3CCCC3)C(CC(C)C)N

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(N2C3CCCC3)[C@H](CC(C)C)N

InChI

InChI=1S/C20H30N4O2S/c1-14(2)11-18(21)19-22-23-20(24(19)17-9-4-5-10-17)27(25,26)13-16-8-6-7-15(3)12-16/h6-8,12,14,17-18H,4-5,9-11,13,21H2,1-3H3/t18-/m0/s1