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

Systemtic Name: 4-tert-butyl-N-[6-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-tert-butyl-benzamide CAS Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-tert-butylbenzamide IUPAC Name: N-[6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-4-tert-butylbenzamide Traditional Name: N-[6-(4-besyl-1,4-diazepan-1-yl)-3-pyridyl]-4-tert-butyl-benzamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3S/c1-27(2,3)22-12-10-21(11-13-22)26(32)29-23-14-15-25(28-20-23)30-16-7-17-31(19-18-30)35(33,34)24-8-5-4-6-9-24/h4-6,8-15,20H,7,16-19H2,1-3H3,(H,29,32)