4-tert-butyl-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C27H31FN4O3S MolecularWeight: 510.623443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O3S/c1-27(2,3)21-7-5-20(6-8-21)26(33)30-23-11-14-25(29-19-23)31-15-4-16-32(18-17-31)36(34,35)24-12-9-22(28)10-13-24/h5-14,19H,4,15-18H2,1-3H3,(H,30,33)