[3-azanyl-5-(4-azanylbutylamino)-4-(4-chlorophenyl)sulfonyl-thiophen-2-yl]-phenyl-methanone

Systemtic Name: [3-azanyl-5-(4-azanylbutylamino)-4-(4-chlorophenyl)sulfonyl-thiophen-2-yl]-phenyl-methanone Openeye Name: [3-amino-5-(4-aminobutylamino)-4-(4-chlorophenyl)sulfonyl-2-thienyl]-phenyl-methanone CAS Name: [3-amino-5-(4-aminobutylamino)-4-(4-chlorophenyl)sulfonyl-2-thiophenyl]-phenylmethanone IUPAC Name: [3-amino-5-(4-aminobutylamino)-4-(4-chlorophenyl)sulfonylthiophen-2-yl]-phenylmethanone Traditional Name: [3-amino-5-(4-aminobutylamino)-4-(4-chlorophenyl)sulfonyl-2-thienyl]-phenyl-methanone Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCCCCN)S(=O)(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCCCCN)S(=O)(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H22ClN3O3S2/c22-15-8-10-16(11-9-15)30(27,28)20-17(24)19(18(26)14-6-2-1-3-7-14)29-21(20)25-13-5-4-12-23/h1-3,6-11,25H,4-5,12-13,23-24H2