N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]naphthalene-2-sulfonamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]naphthalene-2-sulfonamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCCCCC1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H28N2O3S/c1-16(2)20(21(24)23-13-7-3-4-8-14-23)22-27(25,26)19-12-11-17-9-5-6-10-18(17)15-19/h5-6,9-12,15-16,20,22H,3-4,7-8,13-14H2,1-2H3/t20-/m0/s1