3-[(1-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepin-4-yl)sulfonyl]aniline

Systemtic Name: 3-[(1-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepin-4-yl)sulfonyl]aniline Openeye Name: 3-[(1-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepin-4-yl)sulfonyl]aniline CAS Name: 3-[(1-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepin-4-yl)sulfonyl]aniline IUPAC Name: 3-[(1-methyl-5,6,7,8-tetrahydropyrazolo[4,3-b]azepin-4-yl)sulfonyl]aniline Traditional Name: [3-[(1-methyl-5,6,7,8-tetrahydropyrazol[4,3-b]azepin-4-yl)sulfonyl]phenyl]amine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)N(CCCC2)S(=O)(=O)C3=CC=CC(=C3)N

Isomeric SMILES

CN1C2=C(C=N1)N(CCCC2)S(=O)(=O)C3=CC=CC(=C3)N

InChI

InChI=1S/C14H18N4O2S/c1-17-13-7-2-3-8-18(14(13)10-16-17)21(19,20)12-6-4-5-11(15)9-12/h4-6,9-10H,2-3,7-8,15H2,1H3