N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azepane-1-sulfonamide

Systemtic Name: N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azepane-1-sulfonamide Openeye Name: N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azepane-1-sulfonamide CAS Name: N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-azepanesulfonamide IUPAC Name: N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azepane-1-sulfonamide Traditional Name: N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azepane-1-sulfonamide Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=NC=N2)N(C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H25N5O2S/c1-15(16-7-9-17(10-8-16)22-14-18-13-19-22)20(2)25(23,24)21-11-5-3-4-6-12-21/h7-10,13-15H,3-6,11-12H2,1-2H3/t15-/m0/s1