3-(azepan-1-ylsulfonyl)-4-methyl-aniline

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-aniline Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-aniline CAS Name: 3-(1-azepanylsulfonyl)-4-methylaniline IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methylaniline Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amine Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)N)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H20N2O2S/c1-11-6-7-12(14)10-13(11)18(16,17)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3