2-[2-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methyl]-6-chloranyl-benzimidazol-1-yl]ethanol

Systemtic Name: 2-[2-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methyl]-6-chloranyl-benzimidazol-1-yl]ethanol Openeye Name: 2-[2-[[4-(azepan-1-ylsulfonyl)anilino]methyl]-6-chloro-benzimidazol-1-yl]ethanol CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)anilino]methyl]-6-chloro-1-benzimidazolyl]ethanol IUPAC Name: 2-[2-[[4-(azepan-1-ylsulfonyl)anilino]methyl]-6-chlorobenzimidazol-1-yl]ethanol Traditional Name: 2-[2-[[4-(azepan-1-ylsulfonyl)anilino]methyl]-6-chloro-benzimidazol-1-yl]ethanol Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N3CCO)C=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN4O3S/c23-17-5-10-20-21(15-17)27(13-14-28)22(25-20)16-24-18-6-8-19(9-7-18)31(29,30)26-11-3-1-2-4-12-26/h5-10,15,24,28H,1-4,11-14,16H2