2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(phenylmethyl)amino]-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(phenylmethyl)amino]-N-phenyl-ethanamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-benzyl-amino]-N-phenyl-acetamide CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]sulfonyl-(phenylmethyl)amino]-N-phenylacetamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-benzylamino]-N-phenylacetamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-benzyl-amino]-N-phenyl-acetamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O5S2/c31-27(28-24-13-7-4-8-14-24)22-30(21-23-11-5-3-6-12-23)37(34,35)26-17-15-25(16-18-26)36(32,33)29-19-9-1-2-10-20-29/h3-8,11-18H,1-2,9-10,19-22H2,(H,28,31)