N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]naphthalene-2-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]naphthalene-2-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]naphthalene-2-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-2-naphthamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H27N3O4S/c29-24(18-26-25(30)21-13-12-19-8-3-4-9-20(19)16-21)27-22-10-7-11-23(17-22)33(31,32)28-14-5-1-2-6-15-28/h3-4,7-13,16-17H,1-2,5-6,14-15,18H2,(H,26,30)(H,27,29)