4-(azepan-1-ylsulfonyl)-N-(1,3-benzoxazol-2-ylmethyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzoxazol-2-ylmethyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzoxazol-2-ylmethyl)aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzoxazol-2-ylmethyl)aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzoxazol-2-ylmethyl)aniline Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(1,3-benzoxazol-2-ylmethyl)amine Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O3S/c24-27(25,23-13-5-1-2-6-14-23)17-11-9-16(10-12-17)21-15-20-22-18-7-3-4-8-19(18)26-20/h3-4,7-12,21H,1-2,5-6,13-15H2