N-[4-(azepan-1-ylsulfonyl)phenyl]-3-butoxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-butoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-butoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-butoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-butoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-butoxy-benzamide Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O4S/c1-2-3-17-29-21-10-8-9-19(18-21)23(26)24-20-11-13-22(14-12-20)30(27,28)25-15-6-4-5-7-16-25/h8-14,18H,2-7,15-17H2,1H3,(H,24,26)