N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(benzotriazol-1-ylmethyl)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(benzotriazol-1-ylmethyl)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(benzotriazol-1-ylmethyl)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(1-benzotriazolylmethyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(benzotriazol-1-ylmethyl)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(benzotriazol-1-ylmethyl)benzamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N5O3S/c32-26(21-11-9-20(10-12-21)19-31-25-8-4-3-7-24(25)28-29-31)27-22-13-15-23(16-14-22)35(33,34)30-17-5-1-2-6-18-30/h3-4,7-16H,1-2,5-6,17-19H2,(H,27,32)