N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-1-propan-2-yl-benzotriazole-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-1-propan-2-yl-benzotriazole-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-1-isopropyl-N-methyl-benzotriazole-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-1-propan-2-yl-5-benzotriazolesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-1-propan-2-ylbenzotriazole-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-1-isopropyl-N-methyl-benzotriazole-5-sulfonamide Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCCCCC3)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC(=O)N3CCCCCC3)N=N1

InChI

InChI=1S/C18H27N5O3S/c1-14(2)23-17-9-8-15(12-16(17)19-20-23)27(25,26)21(3)13-18(24)22-10-6-4-5-7-11-22/h8-9,12,14H,4-7,10-11,13H2,1-3H3