N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(benzimidazol-1-yl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(benzimidazol-1-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(benzimidazol-1-yl)propanamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(1-benzimidazolyl)propanamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(benzimidazol-1-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(benzimidazol-1-yl)propionamide Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCN4C=NC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CCN4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H33N5O4S/c32-26(11-14-30-20-27-22-7-3-4-8-24(22)30)28-23-19-21(36(33,34)31-15-17-35-18-16-31)9-10-25(23)29-12-5-1-2-6-13-29/h3-4,7-10,19-20H,1-2,5-6,11-18H2,(H,28,32)