[3-(azepan-1-ylsulfonyl)phenyl]-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]ammonium IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH2+]C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-8-7-11-22(16-17)20(24)15-21-18-9-6-10-19(14-18)27(25,26)23-12-4-2-3-5-13-23/h6,9-10,14,17,21H,2-5,7-8,11-13,15-16H2,1H3/p+1/t17-/m0/s1