5-(azepan-1-yl)-2-(3-nitrophenyl)-4-(phenylsulfonyl)-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-2-(3-nitrophenyl)-4-(phenylsulfonyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(3-nitrophenyl)oxazole CAS Name: 5-(1-azepanyl)-4-(benzenesulfonyl)-2-(3-nitrophenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(3-nitrophenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-besyl-2-(3-nitrophenyl)oxazole Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c25-24(26)17-10-8-9-16(15-17)19-22-20(30(27,28)18-11-4-3-5-12-18)21(29-19)23-13-6-1-2-7-14-23/h3-5,8-12,15H,1-2,6-7,13-14H2