3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]phenyl]benzamide Formula: C31H32ClN5O5S MolecularWeight: 622.13428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C31H32ClN5O5S/c1-21-28(31(40)37(35(21)2)25-13-6-5-7-14-25)34-30(39)22-11-10-12-24(19-22)33-29(38)23-15-16-26(32)27(20-23)43(41,42)36-17-8-3-4-9-18-36/h5-7,10-16,19-20H,3-4,8-9,17-18H2,1-2H3,(H,33,38)(H,34,39)