N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Systemtic Name: N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Openeye Name: N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide CAS Name: N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide IUPAC Name: N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Traditional Name: N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H23N5O2S/c1-16(17-7-9-20(10-8-17)25-15-21-14-22-25)23(2)28(26,27)24-12-11-18-5-3-4-6-19(18)13-24/h3-10,14-16H,11-13H2,1-2H3