N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H23N5O3S/c27-21(17-8-10-19(11-9-17)26-16-22-15-23-26)24-18-6-5-7-20(14-18)30(28,29)25-12-3-1-2-4-13-25/h5-11,14-16H,1-4,12-13H2,(H,24,27)