5-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-2-methoxy-aniline

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-2-methoxy-aniline Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-2-methoxy-aniline CAS Name: 5-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-2-methoxyaniline IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-2-methoxyaniline Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(1,3-benzothiazol-2-ylmethyl)amine Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O3S2/c1-27-19-11-10-16(29(25,26)24-12-6-2-3-7-13-24)14-18(19)22-15-21-23-17-8-4-5-9-20(17)28-21/h4-5,8-11,14,22H,2-3,6-7,12-13,15H2,1H3