N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-benzotriazole-5-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C21H25N5O3S/c1-2-26-20-12-7-16(15-19(20)23-24-26)21(27)22-17-8-10-18(11-9-17)30(28,29)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14H2,1H3,(H,22,27)