N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H26N4O5S/c28-21(13-16-27-23(30)20-8-4-3-7-19(20)22(29)25-27)24-17-9-11-18(12-10-17)33(31,32)26-14-5-1-2-6-15-26/h3-4,7-12H,1-2,5-6,13-16H2,(H,24,28)(H,25,29)