4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carboxamide Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H27N5O3S2/c25-19(20-15-18-21-16-7-3-4-8-17(16)28-18)22-11-13-24(14-12-22)29(26,27)23-9-5-1-2-6-10-23/h3-4,7-8H,1-2,5-6,9-15H2,(H,20,25)